* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    135    212     398
    1     0 S   NP   _N1_     1    29.07407    93.06466   -22.65653
    2     1 S   H    _HN1     2     1.02773   100.68955   -83.02279
    3     1 S   H    _H1_     3     1.02961    92.40280    26.16026
    4     1 S   H    _H2_     4     1.02830    20.13097   163.65540
    5     1 S   CT   _CA1     5     1.50141   130.07035   145.47212
    6     5 S   HC   _HA1     6     1.09578   105.19251    65.69549
    7     5 S   CO3  _C1_     7     1.53781   112.43168   -54.37717
    8     7 S   O2Z  _O11     8     1.26356   115.00694   -41.73775
    9     7 S   O2Z  _O12     9     1.26250   114.92005   137.32608
   10     5 S   CT   _CB1    10     1.53081   107.38965  -176.46986
   11    10 S   HC   HB11    11     1.09822   109.21558   -51.01899
   12    10 S   HC   HB12    12     1.09824   110.43700    65.48483
   13    10 S   CT   _CG1    13     1.53009   112.74884  -172.19332
   14    13 S   HC   HG11    14     1.09596   110.34172   -64.95764
   15    13 S   HC   HG12    15     1.09646   110.08102    54.29059
   16    13 S   C    _CD1    16     1.51789   112.28933   174.48008
   17    16 S   O    _OE1    17     1.22738   123.25400    -5.62267
   18    16 S   N    _N2_    18     1.38687   111.70811   174.92364
   19    18 S   H    _HN2    19     1.01582   119.11143     1.34944
   20    18 S   CT1  _CA2    20     1.46057   123.20173  -179.25218
   21    20 S   HC   _HA2    21     1.09577   109.24076    -6.62658
   22    20 S   C    _C2_    22     1.53463   108.98475  -121.83664
   23    22 S   O    _O2_    23     1.23044   122.02527  -148.56336
   24    20 S   CT   _CB2    32     1.53440   111.77445   115.58927
   25    24 S   HC   HB21    33     1.09659   109.56047    64.07887
   26    24 S   HC   HB22    34     1.09576   110.82433  -178.67736
   27    22 S   N    _N3_    24     1.38448   113.58179    38.99434
   28    27 S   H    _HN3    25     1.01510   118.93266    -0.82234
   29    24 S   S    _SG2    35     1.82855   114.84859   -55.64771
   30    27 S   CT   _CA3    26     1.45449   123.49923   174.87922
   31    30 S   HC   HA31    27     1.09519   109.29643    23.46257
   32    30 S   HC   HA32    28     1.09496   107.11686   140.48929
   33    29 S   CT   _C18    36     1.82590    99.97474   -66.86139
   34    33 S   HC   _H3_    37     1.09363   107.36006   -59.06777
   35    33 S   HC   _H4_    38     1.09342   109.34350    58.46672
   36    30 S   CO3  _C3_    29     1.52922   113.04023  -100.04226
   37    36 S   O2Z  _O31    30     1.26408   115.38261   -44.92085
   38    36 S   O2Z  _O32    31     1.26349   114.99694   135.98004
   39    33 S   CT   _C13    39     1.52895   110.79624   179.90935
   40    39 S   HC   _H27    40     1.09733   112.27073    42.79608
   41    39 S   CO4  _C9_    41     1.51633   112.91787   -80.29757
   42    41 S   O    _O17    42     1.22053   126.74858    41.46973
   43    41 S   OS   _O18    43     1.37009   109.44011  -139.22275
   44    43 S   CT   _C15    44     1.43428   109.46970    -6.79523
   45    44 S   HC   _H29    45     1.09968   107.03501   -86.62708
   46    44 S   CT   _C12    46     1.53807   112.62640   152.15791
   47    46 S   HC   _H26    47     1.09791   110.61062   -69.88135
   48    39 S   CT   _C14    56     1.53136   112.27682   167.58824
   49    48 S   HC   _H28    57     1.10085   107.98607    41.88716
   50    46 S   CM   _C5_    48     1.51981   111.05500   168.20940
   51    50 S   CM   _C7_    49     1.34795   127.94106    58.48521
   52    50 S   CO4  _C8_    62     1.49589   105.93760  -120.03039
   53    52 S   O    _O16    63     1.21647   128.21411   176.22815
   54    51 S   CT   _C10    50     1.51632   121.79292    -0.66027
   55    54 S   HC   _H22    51     1.09744   109.42171    66.36564
   56    54 S   HC   _H23    52     1.09817   109.07227  -178.89695
   57    51 S   CT   _C16    58     1.50814   125.37358   178.43615
   58    57 S   HC   _H30    59     1.09503   109.90686   112.15169
   59    57 S   HC   _H31    60     1.08909   114.61468    -9.58275
   60    57 S   HC   _H32    61     1.09607   109.92201  -128.78967
   61    52 S   CM   _C4_    64     1.46834   108.75101    -2.95068
   62    61 S   HC   _H21    65     1.07745   123.69380  -176.92668
   63    54 S   CT   _C11    53     1.53178   114.78924   -58.96560
   64    63 S   HC   _H24    54     1.09635   107.64536  -162.99581
   65    63 S   HC   _H25    55     1.09722   110.45073   -47.20407
   66    46 S   CM   _C6_    66     1.51485   114.39187    51.87851
   67    66 S   CT   _C17    67     1.49356   122.98928   -64.69623
   68    67 S   HC   _H33    68     1.09548   111.24795  -168.37378
   69    67 S   HC   _H34    69     1.09325   111.19214    71.55814
   70    67 S   OH   _O19    70     1.42013   109.46428   -49.19687
   71    70 S   HO   _H37    71     0.97227   107.00180   177.91231
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  15   7  17   7  10
   4  15  14   7   3   9   5   4   4   2   1   1   6   2   2   1
   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    63    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    54    63    64    65    48    49  
   41    42    43    44    63    48    49  
   42    43    44    45    46    63    48    49  
   43    44    48  
   44    45    46    47    50    63    48    49    66  
   45    46    47    50    51    54    63    64    65    48    49    52    61    66    67  
   46    47    50    63    48    49    66  
   47    50    51    54    63    48    49    57    52    53    61    62    66    67    68    69    70  
   50    51    48    52    61    66    67  
   49    66    50    51    54    55    56    63    64    65  
   54    63    64    65  
   51    54    55    56    63    57    58    59    60    52    53    61    62    66    67  
   54    55    56    63    64    65    57    58    59    60    52    53    61    66  
   53    61    62    66    67    54    57  
   61    62    66  
   55    56    63    64    65    57    58    59    60  
   56    63    64    65    57  
   63    64    65    57  
   58    59    60    63  
   59    60  
   60  
    0  
   62    66    67    68    69    70  
   66    67  
   64    65  
   65  
    0  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    66   317.000  1.510
   50    51   549.000  1.340
   50    52   320.000  1.462
   51    54   317.000  1.510
   51    57   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    48   268.000  1.529
   48    49   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   52    53   570.000  1.229
   52    61   320.000  1.462
   61    62   340.000  1.080
   61    66   549.000  1.340
   66    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   320.000  1.410
   70    71   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    63    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    66    70.00000  112.02700
   44    48    63    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    51    70.00000  124.00000
   46    50    52    65.00000  116.34900
   46    66    61    70.00000  124.00000
   46    66    67    65.00000  117.92700
   50    46    47    35.00000  109.50000
   50    51    54    70.00000  124.00000
   50    51    57    70.00000  124.00000
   50    52    53    80.00000  123.72100
   50    52    61    65.00000  118.65900
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    63    70.00000  112.02700
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    35.00000  109.50000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    48    58.35000  112.70000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    48    49    37.50000  110.70000
   65    63    64    33.00000  107.80000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    63    64    37.50000  110.70000
   48    63    65    37.50000  110.70000
   57    51    54    65.00000  117.92700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   52    50    51    65.00000  118.96000
   52    61    62    40.00000  117.72500
   52    61    66    65.00000  118.96000
   61    52    53    80.00000  123.72100
   61    66    67    70.00000  124.00000
   66    46    47    35.00000  109.50000
   66    46    50    70.00000  110.12100
   66    61    62    35.00000  120.00000
   66    67    68    35.00000  109.50000
   66    67    69    35.00000  109.50000
   66    67    70    90.00000  110.39200
   67    70    71    55.00000  108.50000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    63   0.56750  1.0 1.0
   33    39    48    63  -0.07550 -1.0 2.0
   33    39    48    63   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    63   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    63  -0.95700  1.0 1.0
   41    39    48    63  -0.18200 -1.0 2.0
   41    39    48    63   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.61850  1.0 1.0
   43    44    46    50  -0.22750 -1.0 2.0
   43    44    46    50   0.15300  1.0 3.0
   43    44    46    66   0.61850  1.0 1.0
   43    44    46    66  -0.22750 -1.0 2.0
   43    44    46    66   0.15300  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    63   0.62750  1.0 1.0
   43    44    48    63  -0.30950 -1.0 2.0
   43    44    48    63   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.09850  1.0 1.0
   44    46    50    51   0.15250 -1.0 2.0
   44    46    50    51  -0.50650  1.0 3.0
   44    46    50    52   0.09700  1.0 1.0
   44    46    50    52   0.15600 -1.0 2.0
   44    46    50    52  -0.50800  1.0 3.0
   44    46    66    61   0.09850  1.0 1.0
   44    46    66    61   0.15250 -1.0 2.0
   44    46    66    61  -0.50650  1.0 3.0
   44    46    66    67   0.46850  1.0 1.0
   44    46    66    67   0.08550 -1.0 2.0
   44    46    66    67   0.09800  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    66   0.15000  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    63   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.56750  1.0 1.0
   46    44    48    39  -0.07550 -1.0 2.0
   46    44    48    39   0.20000  1.0 3.0
   46    44    48    63   0.56750  1.0 1.0
   46    44    48    63  -0.07550 -1.0 2.0
   46    44    48    63   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    54   7.00000 -1.0 2.0
   46    50    51    57   7.00000 -1.0 2.0
   46    50    52    53  -0.64400  1.0 1.0
   46    50    52    53   0.26850 -1.0 2.0
   46    50   -52    61   1.50000 -1.0 2.0
   46    66    67    68   0.34800  1.0 3.0
   46    66    67    69   0.34800  1.0 3.0
   46    66    67    70   0.18000  1.0 1.0
   46    66    67    70   0.16450 -1.0 2.0
   46    66    67    70   0.04450  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    66    61   0.00000  1.0 1.0
   47    46    66    67   0.34800  1.0 3.0
   50    46   -66    61  -0.28300  1.0 1.0
   50    46   -66    61   0.26700 -1.0 2.0
   50    46   -66    61  -0.63300  1.0 3.0
   50    46    66    67   0.09700  1.0 1.0
   50    46    66    67   0.15600 -1.0 2.0
   50    46    66    67  -0.50800  1.0 3.0
   50    51    54    55   0.00000  1.0 1.0
   50    51    54    56   0.00000  1.0 1.0
   50    51    54    63   0.09850  1.0 1.0
   50    51    54    63   0.15250 -1.0 2.0
   50    51    54    63  -0.50650  1.0 3.0
   50    51    57    58   0.00000  1.0 1.0
   50    51    57    59   0.00000  1.0 1.0
   50    51    57    60   0.00000  1.0 1.0
   50    52    61    62   0.93700 -1.0 2.0
   50    52   -61    66  -1.18350  1.0 1.0
   50    52   -61    66   1.45950 -1.0 2.0
   51    50    52    53   1.00000 -1.0 2.0
   51    50    52    61  -1.18350  1.0 1.0
   51    50    52    61   1.45950 -1.0 2.0
   51    54    63    64   0.15000  1.0 3.0
   51    54    63    65   0.15000  1.0 3.0
   51    54    63    48   0.34400  1.0 1.0
   51    54    63    48   0.09450 -1.0 2.0
   51    54    63    48   0.11100  1.0 3.0
   54    51    57    58   0.34800  1.0 3.0
   54    51    57    59   0.34800  1.0 3.0
   54    51    57    60   0.34800  1.0 3.0
   54    63    48    39   0.56750  1.0 1.0
   54    63    48    39  -0.07550 -1.0 2.0
   54    63    48    39   0.20000  1.0 3.0
   54    63    48    44   0.56750  1.0 1.0
   54    63    48    44  -0.07550 -1.0 2.0
   54    63    48    44   0.20000  1.0 3.0
   54    63    48    49   0.15000  1.0 3.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    65   0.15000  1.0 3.0
   55    54    63    48   0.15000  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    65   0.15000  1.0 3.0
   56    54    63    48   0.15000  1.0 3.0
   64    63    48    39   0.15000  1.0 3.0
   64    63    48    44   0.15000  1.0 3.0
   64    63    48    49   0.15000  1.0 3.0
   65    63    48    39   0.15000  1.0 3.0
   65    63    48    44   0.15000  1.0 3.0
   65    63    48    49   0.15000  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    44    46    66   0.34400  1.0 1.0
   48    44    46    66   0.09450 -1.0 2.0
   48    44    46    66   0.11100  1.0 3.0
   57    51    54    55   0.34800  1.0 3.0
   57    51    54    56   0.34800  1.0 3.0
   57    51    54    63   0.46850  1.0 1.0
   57    51    54    63   0.08550 -1.0 2.0
   57    51    54    63   0.09800  1.0 3.0
   52    50    51    54   7.00000 -1.0 2.0
   52    50    51    57   7.00000 -1.0 2.0
   52    61   -66    46   7.00000 -1.0 2.0
   52    61    66    67   7.00000 -1.0 2.0
   53    52    61    62   0.00000  1.0 1.0
   53    52    61    66   1.00000 -1.0 2.0
   61    66    67    68   0.00000  1.0 1.0
   61    66    67    69   0.00000  1.0 1.0
   61    66    67    70   0.67800  1.0 1.0
   61    66    67    70   0.47050 -1.0 2.0
   61    66    67    70  -0.62500  1.0 3.0
   62    61    66    46   7.00000 -1.0 2.0
   62    61    66    67   7.00000 -1.0 2.0
   66    46    50    51  -0.28300  1.0 1.0
   66    46    50    51   0.26700 -1.0 2.0
   66    46    50    51  -0.63300  1.0 3.0
   66    46   -50    52   0.09700  1.0 1.0
   66    46   -50    52   0.15600 -1.0 2.0
   66    46   -50    52  -0.50800  1.0 3.0
   66    67    70    71  -0.07800  1.0 1.0
   66    67    70    71  -0.21500 -1.0 2.0
   66    67    70    71  -0.03150  1.0 3.0
   68    67    70    71   0.19450  1.0 3.0
   69    67    70    71   0.19450  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    52    50    51   1.10000 -1.0 2.0
   54    57    51    50   1.10000 -1.0 2.0
   50    61    52    53  10.50000 -1.0 2.0
   52    62    61    66   1.10000 -1.0 2.0
   46    67    66    61   1.10000 -1.0 2.0
END
